3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one

C15H12BrNO — CID 68666739

IUPAC3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
SMILESNc1ccccc1C=CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H,17H2
InChIKeyISYWMXJHGVQYFA-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.93
Rot. Bonds3

About 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one

3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one (PubChem CID 68666739) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
PubChem CID68666739
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one
SMILESNc1ccccc1C=CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrNO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H,17H2
InChIKeyISYWMXJHGVQYFA-UHFFFAOYSA-N
XLogP3.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
(E)-3-(2-aminophenyl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
CID 6474698
1-(4-bromophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 4811006
3-(2-aminoanilino)-1-(4-bromophenyl)prop-2-en-1-one
CID 171157320
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 53405740
1-(4-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 3292603
3-(2-amino-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 174590880
(Z)-1-(4-bromophenyl)-3-(1-methylindol-3-yl)prop-2-en-1-one
CID 34882734
[2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate
CID 6123955
(E)-3-[2-amino-5-(2-phenylethenyl)phenyl]-1-phenylprop-2-en-1-one
CID 175973141
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(4-bromophenyl)prop-2-en-1-one
CID 19541408

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one (CID 68666739) is 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one is Nc1ccccc1C=CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
The InChIKey is ISYWMXJHGVQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H,17H2.
What are the key properties of 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one?
3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one has a molecular weight of 302.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(4-bromophenyl)prop-2-en-1-one is sourced from PubChem (CID 68666739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).